The candidate’s mission will be: • Simulation using ab-initio tools of the structure of bismuth nanowire bands of different diameters (from 1 nm to 10 nm). • Extraction of parameters as effective masses, density of states, band offsets for these nanowires. • Implementation of these parameters in a NEGF simulator to simulate bismuth nanowire transistors with variable diameter. • Ab-initio simulation of the bismuth-dielectric nanowire interface and study of various elements of chemical passivation. • This work will be done in collaboration with LETI / DCOS / SCME / LSIM (Philippe Blaise) • The candidate will interact with an experimental team that will produce the simulated devices and will help to supervise one or more doctoral students, in collaboration with IMEP. • The candidate will interact with the LTM to help predict the properties of the grid bismuth-insulator interface and implement the IMEP results in the simulator.